7-[4-(4-methylphenyl)carbonylpiperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[4-(4-methylphenyl)carbonylpiperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-(4-methylbenzoyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-(4-methylbenzoyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-(4-p-toluoylpiperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C22H23N3O3S/c1-15-2-4-16(5-3-15)21(27)24-9-11-25(12-10-24)22(28)17-6-7-19-18(14-17)23-20(26)8-13-29-19/h2-7,14H,8-13H2,1H3,(H,23,26)